Information card for entry 7112697

Structure parameters

• Formula: C69 H112 Fe Li2 O2 Si8
• Calculated formula: C69 H112 Fe Li2 O2 Si8
• Title of publication: Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.
• Authors of publication: Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 11680 - 11682
• a: 12.3933 ± 0.0006 Å
• b: 13.4814 ± 0.0006 Å
• c: 14.5801 ± 0.0007 Å
• α: 93.651 ± 0.002°
• β: 114.647 ± 0.002°
• γ: 114.067 ± 0.002°
• Cell volume: 1939.77 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No